hex-5-enoic acid

C6H10O2 — CID 15308

IUPAChex-5-enoic acid
SMILESC=CCCCC(=O)O
InChIInChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
InChIKeyXUDOZULIAWNMIU-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.43
Rot. Bonds4

About hex-5-enoic acid

hex-5-enoic acid (PubChem CID 15308) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is hex-5-enoic acid.

Molecular Properties

Compound Namehex-5-enoic acid
PubChem CID15308
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namehex-5-enoic acid
SMILESC=CCCCC(=O)O
InChIInChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
InChIKeyXUDOZULIAWNMIU-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Pentenoic acid
CID 61138
5-Decenoic acid, (5E)-
CID 5362593
(5Z)-5-octenoic acid
CID 5282718
cis-5-Decenedioic acid
CID 7563148
trans-3-Octenedioic acid
CID 22495178
5-Decenoic acid
CID 53400879
6-Heptenoic acid
CID 70705
trans-delta-Octenoic acid
CID 5282719
4-Methylpent-4-enoic acid
CID 5282648
Hexa-4,5-dienoic Acid
CID 11137123
2-Oxohex-5-enoic acid
CID 54321116
2-Methyl-5-hexenoic acid
CID 10701854

Frequently Asked Questions

What is the IUPAC name of hex-5-enoic acid?
The IUPAC name of hex-5-enoic acid (CID 15308) is hex-5-enoic acid.
What is the SMILES notation for hex-5-enoic acid?
The canonical SMILES for hex-5-enoic acid is C=CCCCC(=O)O.
What is the InChIKey of hex-5-enoic acid?
The InChIKey is XUDOZULIAWNMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8).
What are the key properties of hex-5-enoic acid?
hex-5-enoic acid has a molecular weight of 114.14 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enoic acid is sourced from PubChem (CID 15308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).